Fcc Ni (revisited): Difference between revisions
(Created page with 'Description: spin polarized fcc Ni. ---- *INCAR <pre> SYSTEM = Ni fcc bulk ISTART = 0 ISPIN = 2 MAGMOM = 1.0 ISMEAR = -5 VOSKOWN = 1 LORBIT = 11 </pre> *KPOINTS <pre> k…') |
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Description: spin polarized fcc Ni. | Description: spin polarized fcc Ni, a ferromagnet. | ||
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Revision as of 11:29, 5 June 2012
Description: spin polarized fcc Ni, a ferromagnet.
- INCAR
SYSTEM = Ni fcc bulk ISTART = 0 ISPIN = 2 MAGMOM = 1.0 ISMEAR = -5 VOSKOWN = 1 LORBIT = 11
- KPOINTS
k-points 0 Gamma 11 11 11 0 0 0
- POSCAR
fcc: -10.93 0.5 0.5 0.0 0.0 0.5 0.5 0.5 0.0 0.5 1 Cartesian 0 0 0
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